2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide

C8H14N4O2 — CID 137121543

IUPAC2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide
SMILESCCC(C)CON=C(C#N)C(N)=NO
InChIInChI=1S/C8H14N4O2/c1-3-6(2)5-14-12-7(4-9)8(10)11-13/h6,13H,3,5H2,1-2H3,(H2,10,11)
InChIKeyJWABFLBIGYPBJT-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.68
Rot. Bonds5

About 2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide

2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide (PubChem CID 137121543) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide.

Molecular Properties

Compound Name2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide
PubChem CID137121543
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide
SMILESCCC(C)CON=C(C#N)C(N)=NO
InChIInChI=1S/C8H14N4O2/c1-3-6(2)5-14-12-7(4-9)8(10)11-13/h6,13H,3,5H2,1-2H3,(H2,10,11)
InChIKeyJWABFLBIGYPBJT-UHFFFAOYSA-N
XLogP0.68
TPSA103.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide?
The IUPAC name of 2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide (CID 137121543) is 2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide.
What is the SMILES notation for 2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide?
The canonical SMILES for 2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide is CCC(C)CON=C(C#N)C(N)=NO.
What is the InChIKey of 2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide?
The InChIKey is JWABFLBIGYPBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-6(2)5-14-12-7(4-9)8(10)11-13/h6,13H,3,5H2,1-2H3,(H2,10,11).
What are the key properties of 2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide?
2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide has a molecular weight of 198.23 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide is sourced from PubChem (CID 137121543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).